SCHEMBL3640879

SCHEMBL3640879

CN1C(C)(C)CC(Nc2nc(N)ncc2-c2cccnc2)CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
RET P07949 4/20 0.42
KIF5B P33176 4/20 0.42
KDR P35968 4/20 0.42
ETV6 P41212 4/20 0.42
KCNH2 Q12809 4/20 0.42
CCDC6 Q16204 4/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IRAK1 P51617 6/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27830729 0.89 RET (0.49) TYRO3RETKIF5BKDRETV6
SCHEMBL1741047 0.75 PRKCQ (0.46) TYRO3MERTKRETKIF5BKDR
SCHEMBL3494878 0.74 PRKCQ (0.54) AXLTYRO3RETKDRIRAK1
SCHEMBL3495485 0.73 PRKCQ (0.53) AXLTYRO3RETKDRIRAK1
SCHEMBL3495629 0.72 PRKCQ (0.54) AXLTYRO3RETKDRIRAK1
SCHEMBL3496333 0.72 PRKCQ (0.54) AXLTYRO3RETKDRIRAK1
SCHEMBL3493963 0.72 PRKCQ (0.54) AXLKDRIRAK1IRAK4PTK2
SCHEMBL3496359 0.71 PRKCQ (0.51) TYRO3SYK
SCHEMBL3495752 0.70 PRKCQ (0.51) SYK
SCHEMBL3496849 0.70 PRKCQ (0.55) KDRSYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO disclosed